AC1L5E2A
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate
Also Known As: J2.781.482D|11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl octadecanoate|11beta,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl octadecanoate|[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,|[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate|11beta,17alpha-Dihydroxy-21-(octadecanoyloxy)pregna-4-ene-3,20-dione|2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl octadecanoate
| Molecular Formula | C39H64O6 |
|---|---|
| Molecular Weight | 628.4703 g/mol |
| LogP | 8.594 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 628.4703 |
| Monoisotopic Mass | 628.4703 |
| Heavy Atoms | 45 |
| Complexity | 1034.5486 |
Chemical Identifiers
| CAS Number | 81047-65-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O |
Product Overview
AC1L5E2A (CAS 81047-65-6), with molecular formula C39H64O6 and molecular weight 628.4703 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octadecanoate.
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